2-(Benzylsulfanyl)benzoic acid
TL;DR: 2-(Benzylsulfanyl)benzoic acid (CAS 153634-54-9) is a chemical compound with molecular formula C14H12O2S and molecular weight 244.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylsulfanylbenzoic acid
Also Known As: 2-(benzylthio)benzoic acid, 2-(benzylsulfanyl)benzenecarboxylic acid, 2-(benzylsulfanyl)benzoic acid, 2-benzylsulfanylbenzoic acid, 2-(benzylthio)benzoicacid
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H12O2S |
| Molecular Weight | 244.0558 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0558 Da |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
| SMILES | C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O |
| InChIKey | IQMZULGMADGDLC-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Benzylsulfanyl)benzoic acid
Property Insights of 2-(Benzylsulfanyl)benzoic acid
The XLogP value of 3.5 indicates that 2-(Benzylsulfanyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfanyl)benzoic acid. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Benzylsulfanyl)benzoic acid?
The CAS number of 2-(Benzylsulfanyl)benzoic acid is 153634-54-9.
What is the molecular formula of 2-(Benzylsulfanyl)benzoic acid?
The molecular formula of 2-(Benzylsulfanyl)benzoic acid is C14H12O2S.
What is the molecular weight of 2-(Benzylsulfanyl)benzoic acid?
The molecular weight of 2-(Benzylsulfanyl)benzoic acid is 244.0558 g/mol.
Where can I buy 2-(Benzylsulfanyl)benzoic acid?
You can request a quote for 2-(Benzylsulfanyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Benzylsulfanyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Benzylsulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.